6tbe - Revision history

OCA at 12:59, 24 January 2024

2024-01-24T12:59:01Z

←Older revision		Revision as of 12:59, 24 January 2024
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	<StructureSection load='6tbe' size='340' side='right'caption='[[6tbe]], [[Resolution\|resolution]] 1.67Å' scene=''>		<StructureSection load='6tbe' size='340' side='right'caption='[[6tbe]], [[Resolution\|resolution]] 1.67Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6tbe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TBE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TBE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6tbe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TBE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TBE FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=EDO:1,2~~-~~ETHANEDIOL'>EDO</scene>~~, ~~<scene name='pdbligand=NOV:NOVOBIOCIN'>NOV</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.6700804Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~MAP1LC3A ([https~~:/~~/www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=9606 HUMAN])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NOV:NOVOBIOCIN'>NOV</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6tbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tbe OCA], [https://pdbe.org/6tbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tbe RCSB], [https://www.ebi.ac.uk/pdbsum/6tbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tbe ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6tbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tbe OCA], [https://pdbe.org/6tbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tbe RCSB], [https://www.ebi.ac.uk/pdbsum/6tbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tbe ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/MLP3A_HUMAN MLP3A_HUMAN]] Involved in formation of autophagosomal vacuoles (autophagosomes).	+	[https://www.uniprot.org/uniprot/MLP3A_HUMAN MLP3A_HUMAN] Involved in formation of autophagosomal vacuoles (autophagosomes).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chaikuad, A]]	+	[[Category: Chaikuad A]]
-	[[Category: Hartmann, M]]	+	[[Category: Hartmann M]]
-	[[Category: Kramer~~, J S~~]]	+	[[Category: Kramer JS]]
-	[[Category: Pogoryelov, D]]	+	[[Category: Pogoryelov D]]
-	[[Category: Proschak, E]]	+	[[Category: Proschak E]]
-	~~[[Category: Autophagy]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Lc3a~~]]	+

OCA at 06:24, 1 December 2021

2021-12-01T06:24:46Z

←Older revision		Revision as of 06:24, 1 December 2021
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	==LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate==		==LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate==
-	<StructureSection load='6tbe' size='340' side='right'caption='[[6tbe]]' scene=''>	+	<StructureSection load='6tbe' size='340' side='right'caption='[[6tbe]], [[Resolution\|resolution]] 1.67Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TBE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6TBE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6tbe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TBE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TBE FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6tbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tbe OCA], [~~http~~://pdbe.org/6tbe PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6tbe RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6tbe PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6tbe ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NOV:NOVOBIOCIN'>NOV</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MAP1LC3A ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6tbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tbe OCA], [https://pdbe.org/6tbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tbe RCSB], [https://www.ebi.ac.uk/pdbsum/6tbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tbe ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/MLP3A_HUMAN MLP3A_HUMAN]] Involved in formation of autophagosomal vacuoles (autophagosomes).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Autophagy is the common name for a number of lysosome-based degradation pathways of cytosolic cargos. The key components of autophagy are members of Atg8 family proteins involved in almost all steps of the process, from autophagosome formation to their selective fusion with lysosomes. In this study, we show that the homologous members of the human Atg8 family proteins, LC3A and LC3B, are druggable by a small molecule inhibitor novobiocin. Structure-activity relationship (SAR) studies of the 4-hydroxy coumarin core scaffold were performed, supported by a crystal structure of the LC3A dihydronovobiocin complex. The study reports the first nonpeptide inhibitors for these protein interaction targets and will lay the foundation for the development of more potent chemical probes for the Atg8 protein family which may also find applications for the development of autophagy-mediated degraders (AUTACs).
		+
		+	Demonstrating Ligandability of the LC3A and LC3B Adapter Interface.,Hartmann M, Huber J, Kramer JS, Heering J, Pietsch L, Stark H, Odadzic D, Bischoff I, Furst R, Schroder M, Akutsu M, Chaikuad A, Dotsch V, Knapp S, Biondi RM, Rogov VV, Proschak E J Med Chem. 2021 Apr 8;64(7):3720-3746. doi: 10.1021/acs.jmedchem.0c01564. Epub, 2021 Mar 26. PMID:33769048<ref>PMID:33769048</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6tbe" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chaikuad A]]	+	[[Category: Chaikuad, A]]
-	[[Category: Hartmann M]]	+	[[Category: Hartmann, M]]
-	[[Category: Kramer JS]]	+	[[Category: Kramer, J S]]
-	[[Category: Pogoryelov D]]	+	[[Category: Pogoryelov, D]]
-	[[Category: Proschak E]]	+	[[Category: Proschak, E]]
		+	[[Category: Autophagy]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Lc3a]]

OCA at 09:35, 18 November 2020

2020-11-18T09:35:38Z

←Older revision		Revision as of 09:35, 18 November 2020
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-	'''Unreleased structure'''

-	~~The entry 6tbe is ON HOLD until Paper Publication~~	+	==LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate==
-		+	<StructureSection load='6tbe' size='340' side='right'caption='[[6tbe]]' scene=''>
-	~~Authors: Kramer, J.S., Pogoryelov, D., Hartmann, M., Chaikuad, A., Proschak, E.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TBE OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6TBE FirstGlance]. <br>
-	~~Description:~~ LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6tbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tbe OCA], [http://pdbe.org/6tbe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6tbe RCSB], [http://www.ebi.ac.uk/pdbsum/6tbe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6tbe ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Chaikuad, A]]	+	__TOC__
-	[[Category: ~~Proschak, E~~]]	+	</StructureSection>
-	[[Category: ~~Pogoryelov, D~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Hartmann, M~~]]	+	[[Category: Chaikuad A]]
-	[[Category: ~~Kramer, J.S~~]]	+	[[Category: Hartmann M]]
		+	[[Category: Kramer JS]]
		+	[[Category: Pogoryelov D]]
		+	[[Category: Proschak E]]

OCA at 06:10, 22 July 2020

2020-07-22T06:10:21Z

←Older revision		Revision as of 06:10, 22 July 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6tbe is ON HOLD	+	The entry 6tbe is ON HOLD until Paper Publication

	Authors: Kramer, J.S., Pogoryelov, D., Hartmann, M., Chaikuad, A., Proschak, E.		Authors: Kramer, J.S., Pogoryelov, D., Hartmann, M., Chaikuad, A., Proschak, E.

OCA: Protected "6tbe" [edit=sysop:move=sysop]

2019-11-13T09:25:47Z

Protected "6tbe" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:25, 13 November 2019

OCA: New page: '''Unreleased structure''' The entry 6tbe is ON HOLD Authors: Kramer, J.S., Pogoryelov, D., Hartmann, M., Chaikuad, A., Proschak, E. Description: LC3A in complex with (3R,4S,5R,6R)-5-h...

2019-11-13T09:25:46Z

New page: '''Unreleased structure''' The entry 6tbe is ON HOLD Authors: Kramer, J.S., Pogoryelov, D., Hartmann, M., Chaikuad, A., Proschak, E. Description: LC3A in complex with (3R,4S,5R,6R)-5-h...

New page

'''Unreleased structure'''

The entry 6tbe is ON HOLD

Authors: Kramer, J.S., Pogoryelov, D., Hartmann, M., Chaikuad, A., Proschak, E.

Description: LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate
[[Category: Unreleased Structures]]
[[Category: Chaikuad, A]]
[[Category: Proschak, E]]
[[Category: Pogoryelov, D]]
[[Category: Hartmann, M]]
[[Category: Kramer, J.S]]